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Published in 2019 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.9b00474
Abstract: Predicting the assembly of multiple proteins into specific complexes is critical to understanding their biological function in an organism and thus the design of drugs to address their malfunction. Proteins are flexible molecules, which inherently…
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Keywords:
protein;
protein docking;
electrostatics;
protein surface ... See more keywords
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Published in 2023 at "Viruses"
DOI: 10.3390/v15020305
Abstract: Influenza A viruses are rarely symptomatic in wild birds, while representing a higher threat to poultry and mammals, where they can cause a variety of symptoms, including death. H5 and H7 subtypes of influenza viruses…
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Keywords:
influenza viruses;
electrostatics normal;
electrostatics;
analysis ... See more keywords